Merge branch 'develop' into fix/plots

ReleaseNotes.md

@@ -7,6 +7,7 @@ This update fixes a number of minor issues:
   - Fixed an issue in HEATR when calculating the average outgoing energy from a distribution that uses multiple interpolation ranges in TAB1 records (test 79 was added to detect this issue in the future). Mainly nuclides using MF5 instead of MF6 are impacted by this change (e.g. Sn119 and Sn122 from ENDF/B-VIII.0).
   - Fixed an issue in HEATR where the photon recoil needed to be multiplied by the photon multiplicity to obtain the photon recoil per interaction.
   - Fixed a crash in THERMR when asking for S(a,b) processing (iinc=2) while no ENDF tape is given (nendf=0).
+  - Multiple ERRORR calls can now be made in the same input file without crashing. This is of interest to users that wish to process MF34 and MF35 (where ERRORR needs to be called for each sub-subsection and incident energy group). The issue was related to arrays being allocated but not unallocated in the previous ERRORR run in NJOY's Sammy routines (evaluations using MF2 LRF=7 had this issue).
   - Fixed an issue in ACER where the number of photons given in the ENDF file was larger than the hardcoded limit. The new limit is now adaptive.
   - Fixed an issue in ACER where NaN values were produced in the postscript file for the checking plots.
 

src/errorr.f90

@@ -796,6 +796,8 @@ subroutine errorr
             if (mmtres(i).eq.106) mmtres(i)=750
             if (mmtres(i).eq.107) mmtres(i)=800
          enddo
+      else
+         call desammy
       endif
       call findf(matd,2,0,nendf)
       deallocate(a)
@@ -1048,6 +1050,7 @@ subroutine errorr
    !--errorr is finished.
    call atend(nout,0)
   330 continue
+   if (nmtres.ne.0) call desammy
    if (allocated(flx))  deallocate(flx)
    if (allocated(sig))  deallocate(sig)
    if (allocated(cov))  deallocate(cov)
@@ -3225,7 +3228,6 @@ subroutine resprx(nwscr,a)
       enddo
    enddo
    call closz(nscr6)
-   if (nmtres.gt.0) call desammy
 
    return
    end subroutine resprx

src/reconr.f90

@@ -289,6 +289,8 @@ subroutine reconr
                     if (mmtres(i).eq.106) mmtres(i)=750
                     if (mmtres(i).eq.107) mmtres(i)=800
                  enddo
+              else
+                 call desammy
               endif
               call repoz(nin)
               call findf(mata,2,0,nin)

src/samm.f90

@@ -553,7 +553,6 @@ subroutine s2sammy(nin,res,maxres,mmtres,nmtres)
       lllmax=lllmaxx
       call allo
    endif
-   if (nmtres.eq.0) deallocate(nchan)
 
    return
    end subroutine s2sammy
@@ -6867,130 +6866,129 @@ subroutine desammy
    !-------------------------------------------------------------------
 
    ! channel array
-   deallocate(nchan)
+   if (allocated(nchan)) deallocate(nchan)
 
    ! angle array
    if (Want_Angular_Dist) then
-      deallocate(xlmn)
-      deallocate(kxlmn)
+      if (allocated(xlmn)) deallocate(xlmn)
+      if (allocated(kxlmn)) deallocate(kxlmn)
    endif
 
    ! allo2 arrays
    if (Want_Partial_Derivs) then
-      deallocate(br)
-      deallocate(bi)
-      deallocate(pr)
-      deallocate(pii)
+      if (allocated(br)) deallocate(br)
+      if (allocated(bi)) deallocate(bi)
+      if (allocated(pr)) deallocate(pr)
+      if (allocated(pii)) deallocate(pii)
    endif
 
-   deallocate(crss)
-   deallocate(sigmas)
+   if (allocated(crss)) deallocate(crss)
+   if (allocated(sigmas)) deallocate(sigmas)
 
    if (Want_Partial_Derivs) then
-      deallocate(deriv)
-      deallocate(dsigma)
+      if (allocated(deriv)) deallocate(deriv)
+      if (allocated(dsigma)) deallocate(dsigma)
    endif
 
    if (Want_Angular_Dist) then
-      deallocate(crssx)
-      deallocate(Coef_Leg)
+      if (allocated(crssx)) deallocate(crssx)
+      if (allocated(Coef_Leg)) deallocate(Coef_Leg)
       if (Want_Partial_Derivs) then
-         deallocate(derivx)
-         deallocate(D_Coef_Leg)
+         if (allocated(derivx)) deallocate(derivx)
+         if (allocated(D_Coef_Leg)) deallocate(D_Coef_Leg)
       endif
    endif
 
-   deallocate(alphar)
-   deallocate(alphai)
-   deallocate(difen)
-   deallocate(xden)
+   if (allocated(alphar)) deallocate(alphar)
+   if (allocated(alphai)) deallocate(alphai)
+   if (allocated(difen)) deallocate(difen)
+   if (allocated(xden)) deallocate(xden)
 
    if (Want_Partial_Derivs) then
-      deallocate(upr)
-      deallocate(upi)
+      if (allocated(upr)) deallocate(upr)
+      if (allocated(upi)) deallocate(upi)
    endif
 
-   deallocate(sinsqr)
-   deallocate(sin2ph)
-   deallocate(dphi)
-   deallocate(dpdr)
-   deallocate(dsdr)
-   deallocate(cscs)
-   deallocate(cosphi)
-   deallocate(sinphi)
+   if (allocated(sinsqr)) deallocate(sinsqr)
+   if (allocated(sin2ph)) deallocate(sin2ph)
+   if (allocated(dphi)) deallocate(dphi)
+   if (allocated(dpdr)) deallocate(dpdr)
+   if (allocated(dsdr)) deallocate(dsdr)
+   if (allocated(cscs)) deallocate(cscs)
+   if (allocated(cosphi)) deallocate(cosphi)
+   if (allocated(sinphi)) deallocate(sinphi)
 
-   deallocate(rootp)
-   deallocate(elinvr)
-   deallocate(elinvi)
-   deallocate(psmall)
-   deallocate(xxxxr)
-   deallocate(xxxxi)
+   if (allocated(rootp)) deallocate(rootp)
+   if (allocated(elinvr)) deallocate(elinvr)
+   if (allocated(elinvi)) deallocate(elinvi)
+   if (allocated(psmall)) deallocate(psmall)
+   if (allocated(xxxxr)) deallocate(xxxxr)
+   if (allocated(xxxxi)) deallocate(xxxxi)
 
-   deallocate(xqr)
-   deallocate(xqi)
+   if (allocated(xqr)) deallocate(xqr)
+   if (allocated(xqi)) deallocate(xqi)
 
-   deallocate(qr)
-   deallocate(qi)
+   if (allocated(qr)) deallocate(qr)
+   if (allocated(qi)) deallocate(qi)
 
    if (Want_Partial_Derivs) then
-      deallocate(tr)
-      deallocate(ti)
-      deallocate(tx)
+      if (allocated(tr)) deallocate(tr)
+      if (allocated(ti)) deallocate(ti)
+      if (allocated(tx)) deallocate(tx)
    endif
 
-   deallocate(ddddd)
+   if (allocated(ddddd)) deallocate(ddddd)
 
-   deallocate(yinv)
+   if (allocated(yinv)) deallocate(yinv)
 
-   deallocate(rmat)
-   deallocate(ymat)
+   if (allocated(rmat)) deallocate(rmat)
+   if (allocated(ymat)) deallocate(ymat)
 
-   deallocate(par)
+   if (allocated(par)) deallocate(par)
 
  ! allo1 arrays
 
-   deallocate(ema)
-   deallocate(emb)
-   deallocate(kza)
-   deallocate(kzb)
-   deallocate(spina)
-   deallocate(spinb)
-   deallocate(qqq)
-   deallocate(ishift)
-   deallocate(lpent)
-   deallocate(mt)
-   deallocate(pa)
-   deallocate(pb)
-   deallocate(sspin)
-   deallocate(parity)
-   deallocate(nresg)
-   deallocate(ipp)
-   deallocate(lspin)
-   deallocate(chspin)
-   deallocate(bound)
-   deallocate(rdeff)
-   deallocate(rdtru)
-   deallocate(eres)
-   deallocate(gamgam)
-   deallocate(gamma)
-   deallocate(parext)
-   deallocate(nent)
-   deallocate(next)
-   deallocate(goj)
-   deallocate(zke)
-   deallocate(zkfe)
-   deallocate(zkte)
-   deallocate(zeta)
-   deallocate(echan)
-   deallocate(betapr)
-   deallocate(gbetpr)
-   deallocate(beta)
-   deallocate(uuuu)
-   deallocate(duuu)
-   deallocate(iduu)
+   if (allocated(ema)) deallocate(ema)
+   if (allocated(emb)) deallocate(emb)
+   if (allocated(kza)) deallocate(kza)
+   if (allocated(kzb)) deallocate(kzb)
+   if (allocated(spina)) deallocate(spina)
+   if (allocated(spinb)) deallocate(spinb)
+   if (allocated(qqq)) deallocate(qqq)
+   if (allocated(ishift)) deallocate(ishift)
+   if (allocated(lpent)) deallocate(lpent)
+   if (allocated(mt)) deallocate(mt)
+   if (allocated(pa)) deallocate(pa)
+   if (allocated(pb)) deallocate(pb)
+   if (allocated(sspin)) deallocate(sspin)
+   if (allocated(parity)) deallocate(parity)
+   if (allocated(nresg)) deallocate(nresg)
+   if (allocated(ipp)) deallocate(ipp)
+   if (allocated(lspin)) deallocate(lspin)
+   if (allocated(chspin)) deallocate(chspin)
+   if (allocated(bound)) deallocate(bound)
+   if (allocated(rdeff)) deallocate(rdeff)
+   if (allocated(rdtru)) deallocate(rdtru)
+   if (allocated(eres)) deallocate(eres)
+   if (allocated(gamgam)) deallocate(gamgam)
+   if (allocated(gamma)) deallocate(gamma)
+   if (allocated(parext)) deallocate(parext)
+   if (allocated(nent)) deallocate(nent)
+   if (allocated(next)) deallocate(next)
+   if (allocated(goj)) deallocate(goj)
+   if (allocated(zke)) deallocate(zke)
+   if (allocated(zkfe)) deallocate(zkfe)
+   if (allocated(zkte)) deallocate(zkte)
+   if (allocated(zeta)) deallocate(zeta)
+   if (allocated(echan)) deallocate(echan)
+   if (allocated(betapr)) deallocate(betapr)
+   if (allocated(gbetpr)) deallocate(gbetpr)
+   if (allocated(beta)) deallocate(beta)
+   if (allocated(uuuu)) deallocate(uuuu)
+   if (allocated(duuu)) deallocate(duuu)
+   if (allocated(iduu)) deallocate(iduu)
 
    return
    end subroutine desammy
 
 end module samm
-